6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione

C13H22N4O2 — CID 2363705

IUPAC6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NC2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-2-3-8-17-11(14)10(12(18)16-13(17)19)15-9-6-4-5-7-9/h9,15H,2-8,14H2,1H3,(H,16,18,19)
InChIKeyQSWLLYQXNWLJDT-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.27
Rot. Bonds5

About 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione

6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione (PubChem CID 2363705) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione
PubChem CID2363705
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NC2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-2-3-8-17-11(14)10(12(18)16-13(17)19)15-9-6-4-5-7-9/h9,15H,2-8,14H2,1H3,(H,16,18,19)
InChIKeyQSWLLYQXNWLJDT-UHFFFAOYSA-N
XLogP1.27
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-5-(butylamino)-1-(2-methylpropyl)-2,4(1H,3H)-pyrimidinedione
CID 3813450
6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione
CID 10018296
6-Amino-1-methyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione
CID 2497562
6-Amino-1-butyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363721
6-Amino-1-butyl-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2384333
6-Amino-1-butyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504
5,6-diamino-3-dodecyl-1H-pyrimidine-2,4-dione
CID 10086748
5-amino-3-methyl-6-(octadecylamino)-1H-pyrimidine-2,4-dione
CID 10409207
N-hexyl-5-methylamino-2,4-dioxo-pyrimidine-1-carboxamide
CID 71654964
Uracil, 3-cyclopentyl-1,6-dimethyl-5-dimethylamino-
CID 208420
Uracil, 1-cyclohexyl-5-(dimethylamino)-6-methyl-
CID 208421

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione (CID 2363705) is 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione is CCCCn1c(N)c(NC2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione?
The InChIKey is QSWLLYQXNWLJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-3-8-17-11(14)10(12(18)16-13(17)19)15-9-6-4-5-7-9/h9,15H,2-8,14H2,1H3,(H,16,18,19).
What are the key properties of 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione?
6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 2363705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).